First-principles studies of gas molecule adsorption on a LaB<sub>6</sub>(100) surface-Reference-Cited by-同舟云学术

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First-principles studies of gas molecule adsorption on a LaB₆(100) surface

Published:2024 Issue:32 Volume:26 Page:21628-21641
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wang Rui¹,Ding Z. J.¹²^ORCID

Affiliation:

1. Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China

2. Hefei National Research Center for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, P. R. China

Abstract

First-principles calculations were employed to study the molecular and dissociative adsorption of CO2, H2O, O2 and N2 on a LaB6(100) surface.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP02520B

Reference57 articles.

1. Properties ofLaB6elucidated by density functional theory

2. Surface science studies of metal hexaborides

3. Evaluation of LaB6Thin Film as Low-Work-Function Gate for MOSFET Operated at Low Temperature

4. Emission properties and back-bombardment for CeB6 compared to LaB6

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